# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.95923232
_cell_length_b   13.17831444
_cell_length_c   49.13404146
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.60809531
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H504
_cell_volume   13934.5453499
_cell_formula_units_Z   252
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  H  H1  1  0.674129  0.796021  0.338929  1
  H  H2  1  0.340796  0.796021  0.338929  1
  H  H3  1  0.537279  0.480271  0.297262  1
  H  H4  1  0.689038  0.388146  0.318096  1
  H  H5  1  0.007463  0.796021  0.338929  1
  H  H6  1  0.203946  0.480271  0.297262  1
  H  H7  1  0.355704  0.388146  0.318096  1
  H  H8  1  0.507463  0.296021  0.338929  1
  H  H9  1  0.703946  0.980271  0.297262  1
  H  H10  1  0.870613  0.480271  0.297262  1
  H  H11  1  0.022371  0.388146  0.318096  1
  H  H12  1  0.174129  0.296021  0.338929  1
  H  H13  1  0.370613  0.980271  0.297262  1
  H  H14  1  0.522371  0.888146  0.318096  1
  H  H15  1  0.840796  0.296021  0.338929  1
  H  H16  1  0.037279  0.980271  0.297262  1
  H  H17  1  0.189038  0.888146  0.318096  1
  H  H18  1  0.855704  0.888146  0.318096  1
  H  H19  1  0.682138  0.755979  0.327738  1
  H  H20  1  0.348804  0.755979  0.327738  1
  H  H21  1  0.545288  0.440229  0.286071  1
  H  H22  1  0.697046  0.348104  0.306904  1
  H  H23  1  0.015471  0.755979  0.327738  1
  H  H24  1  0.211954  0.440229  0.286071  1
  H  H25  1  0.363713  0.348104  0.306904  1
  H  H26  1  0.515471  0.255979  0.327738  1
  H  H27  1  0.711954  0.940229  0.286071  1
  H  H28  1  0.878621  0.440229  0.286071  1
  H  H29  1  0.030379  0.348104  0.306904  1
  H  H30  1  0.182138  0.255979  0.327738  1
  H  H31  1  0.378621  0.940229  0.286071  1
  H  H32  1  0.530379  0.848104  0.306904  1
  H  H33  1  0.848804  0.255979  0.327738  1
  H  H34  1  0.045288  0.940229  0.286071  1
  H  H35  1  0.197046  0.848104  0.306904  1
  H  H36  1  0.863713  0.848104  0.306904  1
  H  H37  1  0.590796  0.046021  0.338929  1
  H  H38  1  0.257463  0.046021  0.338929  1
  H  H39  1  0.453946  0.730271  0.297262  1
  H  H40  1  0.605704  0.638146  0.318096  1
  H  H41  1  0.924129  0.046021  0.338929  1
  H  H42  1  0.120613  0.730271  0.297262  1
  H  H43  1  0.272371  0.638146  0.318096  1
  H  H44  1  0.424129  0.546021  0.338929  1
  H  H45  1  0.620613  0.230271  0.297262  1
  H  H46  1  0.787279  0.730271  0.297262  1
  H  H47  1  0.939038  0.638146  0.318096  1
  H  H48  1  0.090796  0.546021  0.338929  1
  H  H49  1  0.287279  0.230271  0.297262  1
  H  H50  1  0.439038  0.138146  0.318096  1
  H  H51  1  0.757463  0.546021  0.338929  1
  H  H52  1  0.953946  0.230271  0.297262  1
  H  H53  1  0.105704  0.138146  0.318096  1
  H  H54  1  0.772371  0.138146  0.318096  1
  H  H55  1  0.598804  0.005979  0.327738  1
  H  H56  1  0.265471  0.005979  0.327738  1
  H  H57  1  0.461954  0.690229  0.286071  1
  H  H58  1  0.613713  0.598104  0.306904  1
  H  H59  1  0.932138  0.005979  0.327738  1
  H  H60  1  0.128621  0.690229  0.286071  1
  H  H61  1  0.280379  0.598104  0.306904  1
  H  H62  1  0.432138  0.505979  0.327738  1
  H  H63  1  0.628621  0.190229  0.286071  1
  H  H64  1  0.795288  0.690229  0.286071  1
  H  H65  1  0.947046  0.598104  0.306904  1
  H  H66  1  0.098804  0.505979  0.327738  1
  H  H67  1  0.295288  0.190229  0.286071  1
  H  H68  1  0.447046  0.098104  0.306904  1
  H  H69  1  0.765471  0.505979  0.327738  1
  H  H70  1  0.961954  0.190229  0.286071  1
  H  H71  1  0.113713  0.098104  0.306904  1
  H  H72  1  0.780379  0.098104  0.306904  1
  H  H73  1  0.629404  0.019646  0.401429  1
  H  H74  1  0.296071  0.019646  0.401429  1
  H  H75  1  0.492554  0.703896  0.359762  1
  H  H76  1  0.644313  0.611771  0.380596  1
  H  H77  1  0.962738  0.019646  0.401429  1
  H  H78  1  0.159221  0.703896  0.359762  1
  H  H79  1  0.310979  0.611771  0.380596  1
  H  H80  1  0.462738  0.519646  0.401429  1
  H  H81  1  0.659221  0.203896  0.359762  1
  H  H82  1  0.825888  0.703896  0.359762  1
  H  H83  1  0.977646  0.611771  0.380596  1
  H  H84  1  0.129404  0.519646  0.401429  1
  H  H85  1  0.325888  0.203896  0.359762  1
  H  H86  1  0.477646  0.111771  0.380596  1
  H  H87  1  0.796071  0.519646  0.401429  1
  H  H88  1  0.992554  0.203896  0.359762  1
  H  H89  1  0.144313  0.111771  0.380596  1
  H  H90  1  0.810979  0.111771  0.380596  1
  H  H91  1  0.637413  0.979604  0.390238  1
  H  H92  1  0.304079  0.979604  0.390238  1
  H  H93  1  0.500563  0.663854  0.348571  1
  H  H94  1  0.652321  0.571729  0.369404  1
  H  H95  1  0.970746  0.979604  0.390238  1
  H  H96  1  0.167229  0.663854  0.348571  1
  H  H97  1  0.318988  0.571729  0.369404  1
  H  H98  1  0.470746  0.479604  0.390238  1
  H  H99  1  0.667229  0.163854  0.348571  1
  H  H100  1  0.833896  0.663854  0.348571  1
  H  H101  1  0.985654  0.571729  0.369404  1
  H  H102  1  0.137413  0.479604  0.390238  1
  H  H103  1  0.333896  0.163854  0.348571  1
  H  H104  1  0.485654  0.071729  0.369404  1
  H  H105  1  0.804079  0.479604  0.390238  1
  H  H106  1  0.000563  0.163854  0.348571  1
  H  H107  1  0.152321  0.071729  0.369404  1
  H  H108  1  0.818988  0.071729  0.369404  1
  H  H109  1  0.546071  0.269646  0.401429  1
  H  H110  1  0.212738  0.269646  0.401429  1
  H  H111  1  0.409221  0.953896  0.359762  1
  H  H112  1  0.560979  0.861771  0.380596  1
  H  H113  1  0.879404  0.269646  0.401429  1
  H  H114  1  0.075888  0.953896  0.359762  1
  H  H115  1  0.227646  0.861771  0.380596  1
  H  H116  1  0.379404  0.769646  0.401429  1
  H  H117  1  0.575888  0.453896  0.359762  1
  H  H118  1  0.742554  0.953896  0.359762  1
  H  H119  1  0.894313  0.861771  0.380596  1
  H  H120  1  0.046071  0.769646  0.401429  1
  H  H121  1  0.242554  0.453896  0.359762  1
  H  H122  1  0.394313  0.361771  0.380596  1
  H  H123  1  0.712738  0.769646  0.401429  1
  H  H124  1  0.909221  0.453896  0.359762  1
  H  H125  1  0.060979  0.361771  0.380596  1
  H  H126  1  0.727646  0.361771  0.380596  1
  H  H127  1  0.554079  0.229604  0.390238  1
  H  H128  1  0.220746  0.229604  0.390238  1
  H  H129  1  0.417229  0.913854  0.348571  1
  H  H130  1  0.568988  0.821729  0.369404  1
  H  H131  1  0.887413  0.229604  0.390238  1
  H  H132  1  0.083896  0.913854  0.348571  1
  H  H133  1  0.235654  0.821729  0.369404  1
  H  H134  1  0.387413  0.729604  0.390238  1
  H  H135  1  0.583896  0.413854  0.348571  1
  H  H136  1  0.750563  0.913854  0.348571  1
  H  H137  1  0.902321  0.821729  0.369404  1
  H  H138  1  0.054079  0.729604  0.390238  1
  H  H139  1  0.250563  0.413854  0.348571  1
  H  H140  1  0.402321  0.321729  0.369404  1
  H  H141  1  0.720746  0.729604  0.390238  1
  H  H142  1  0.917229  0.413854  0.348571  1
  H  H143  1  0.068988  0.321729  0.369404  1
  H  H144  1  0.735654  0.321729  0.369404  1
  H  H145  1  0.584679  0.243270  0.463929  1
  H  H146  1  0.251346  0.243270  0.463929  1
  H  H147  1  0.447829  0.927521  0.422262  1
  H  H148  1  0.599588  0.835395  0.443096  1
  H  H149  1  0.918013  0.243270  0.463929  1
  H  H150  1  0.114496  0.927521  0.422262  1
  H  H151  1  0.266254  0.835395  0.443096  1
  H  H152  1  0.418013  0.743270  0.463929  1
  H  H153  1  0.614496  0.427521  0.422262  1
  H  H154  1  0.781163  0.927521  0.422262  1
  H  H155  1  0.932921  0.835395  0.443096  1
  H  H156  1  0.084679  0.743270  0.463929  1
  H  H157  1  0.281163  0.427521  0.422262  1
  H  H158  1  0.432921  0.335395  0.443096  1
  H  H159  1  0.751346  0.743270  0.463929  1
  H  H160  1  0.947829  0.427521  0.422262  1
  H  H161  1  0.099588  0.335395  0.443096  1
  H  H162  1  0.766254  0.335395  0.443096  1
  H  H163  1  0.592688  0.203228  0.452738  1
  H  H164  1  0.259354  0.203228  0.452738  1
  H  H165  1  0.455838  0.887479  0.411071  1
  H  H166  1  0.607596  0.795353  0.431904  1
  H  H167  1  0.926021  0.203228  0.452738  1
  H  H168  1  0.122504  0.887479  0.411071  1
  H  H169  1  0.274263  0.795353  0.431904  1
  H  H170  1  0.426021  0.703228  0.452738  1
  H  H171  1  0.622504  0.387479  0.411071  1
  H  H172  1  0.789171  0.887479  0.411071  1
  H  H173  1  0.940929  0.795353  0.431904  1
  H  H174  1  0.092688  0.703228  0.452738  1
  H  H175  1  0.289171  0.387479  0.411071  1
  H  H176  1  0.440929  0.295353  0.431904  1
  H  H177  1  0.759354  0.703228  0.452738  1
  H  H178  1  0.955838  0.387479  0.411071  1
  H  H179  1  0.107596  0.295353  0.431904  1
  H  H180  1  0.774263  0.295353  0.431904  1
  H  H181  1  0.501346  0.493270  0.463929  1
  H  H182  1  0.168013  0.493270  0.463929  1
  H  H183  1  0.364496  0.177521  0.422262  1
  H  H184  1  0.516254  0.085395  0.443096  1
  H  H185  1  0.834679  0.493270  0.463929  1
  H  H186  1  0.031163  0.177521  0.422262  1
  H  H187  1  0.182921  0.085395  0.443096  1
  H  H188  1  0.334679  0.993270  0.463929  1
  H  H189  1  0.531163  0.677521  0.422262  1
  H  H190  1  0.697829  0.177521  0.422262  1
  H  H191  1  0.849588  0.085395  0.443096  1
  H  H192  1  0.001346  0.993270  0.463929  1
  H  H193  1  0.197829  0.677521  0.422262  1
  H  H194  1  0.349588  0.585395  0.443096  1
  H  H195  1  0.668013  0.993270  0.463929  1
  H  H196  1  0.864496  0.677521  0.422262  1
  H  H197  1  0.016254  0.585395  0.443096  1
  H  H198  1  0.682921  0.585395  0.443096  1
  H  H199  1  0.509354  0.453228  0.452738  1
  H  H200  1  0.176021  0.453228  0.452738  1
  H  H201  1  0.372504  0.137479  0.411071  1
  H  H202  1  0.524263  0.045353  0.431904  1
  H  H203  1  0.842688  0.453228  0.452738  1
  H  H204  1  0.039171  0.137479  0.411071  1
  H  H205  1  0.190929  0.045353  0.431904  1
  H  H206  1  0.342688  0.953228  0.452738  1
  H  H207  1  0.539171  0.637479  0.411071  1
  H  H208  1  0.705838  0.137479  0.411071  1
  H  H209  1  0.857596  0.045353  0.431904  1
  H  H210  1  0.009354  0.953228  0.452738  1
  H  H211  1  0.205838  0.637479  0.411071  1
  H  H212  1  0.357596  0.545353  0.431904  1
  H  H213  1  0.676021  0.953228  0.452738  1
  H  H214  1  0.872504  0.637479  0.411071  1
  H  H215  1  0.024263  0.545353  0.431904  1
  H  H216  1  0.690929  0.545353  0.431904  1
  H  H217  1  0.539954  0.466895  0.526429  1
  H  H218  1  0.206621  0.466895  0.526429  1
  H  H219  1  0.403104  0.151145  0.484762  1
  H  H220  1  0.554863  0.059020  0.505596  1
  H  H221  1  0.873288  0.466895  0.526429  1
  H  H222  1  0.069771  0.151145  0.484762  1
  H  H223  1  0.221529  0.059020  0.505596  1
  H  H224  1  0.373288  0.966895  0.526429  1
  H  H225  1  0.569771  0.651145  0.484762  1
  H  H226  1  0.736438  0.151145  0.484762  1
  H  H227  1  0.888196  0.059020  0.505596  1
  H  H228  1  0.039954  0.966895  0.526429  1
  H  H229  1  0.236438  0.651145  0.484762  1
  H  H230  1  0.388196  0.559020  0.505596  1
  H  H231  1  0.706621  0.966895  0.526429  1
  H  H232  1  0.903104  0.651145  0.484762  1
  H  H233  1  0.054863  0.559020  0.505596  1
  H  H234  1  0.721529  0.559020  0.505596  1
  H  H235  1  0.547963  0.426853  0.515238  1
  H  H236  1  0.214629  0.426853  0.515238  1
  H  H237  1  0.411113  0.111103  0.473571  1
  H  H238  1  0.562871  0.018978  0.494404  1
  H  H239  1  0.881296  0.426853  0.515238  1
  H  H240  1  0.077779  0.111103  0.473571  1
  H  H241  1  0.229538  0.018978  0.494404  1
  H  H242  1  0.381296  0.926853  0.515238  1
  H  H243  1  0.577779  0.611103  0.473571  1
  H  H244  1  0.744446  0.111103  0.473571  1
  H  H245  1  0.896204  0.018978  0.494404  1
  H  H246  1  0.047963  0.926853  0.515238  1
  H  H247  1  0.244446  0.611103  0.473571  1
  H  H248  1  0.396204  0.518978  0.494404  1
  H  H249  1  0.714629  0.926853  0.515238  1
  H  H250  1  0.911113  0.611103  0.473571  1
  H  H251  1  0.062871  0.518978  0.494404  1
  H  H252  1  0.729538  0.518978  0.494404  1
  H  H253  1  0.456621  0.716895  0.526429  1
  H  H254  1  0.123288  0.716895  0.526429  1
  H  H255  1  0.319771  0.401145  0.484762  1
  H  H256  1  0.471529  0.309020  0.505596  1
  H  H257  1  0.789954  0.716895  0.526429  1
  H  H258  1  0.986438  0.401145  0.484762  1
  H  H259  1  0.138196  0.309020  0.505596  1
  H  H260  1  0.289954  0.216895  0.526429  1
  H  H261  1  0.486438  0.901145  0.484762  1
  H  H262  1  0.653104  0.401145  0.484762  1
  H  H263  1  0.804863  0.309020  0.505596  1
  H  H264  1  0.956621  0.216895  0.526429  1
  H  H265  1  0.153104  0.901145  0.484762  1
  H  H266  1  0.304863  0.809020  0.505596  1
  H  H267  1  0.623288  0.216895  0.526429  1
  H  H268  1  0.819771  0.901145  0.484762  1
  H  H269  1  0.971529  0.809020  0.505596  1
  H  H270  1  0.638196  0.809020  0.505596  1
  H  H271  1  0.464629  0.676853  0.515238  1
  H  H272  1  0.131296  0.676853  0.515238  1
  H  H273  1  0.327779  0.361103  0.473571  1
  H  H274  1  0.479538  0.268978  0.494404  1
  H  H275  1  0.797963  0.676853  0.515238  1
  H  H276  1  0.994446  0.361103  0.473571  1
  H  H277  1  0.146204  0.268978  0.494404  1
  H  H278  1  0.297963  0.176853  0.515238  1
  H  H279  1  0.494446  0.861103  0.473571  1
  H  H280  1  0.661113  0.361103  0.473571  1
  H  H281  1  0.812871  0.268978  0.494404  1
  H  H282  1  0.964629  0.176853  0.515238  1
  H  H283  1  0.161113  0.861103  0.473571  1
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  H  H503  1  0.845363  0.439853  0.681904  1
  H  H504  1  0.512029  0.439853  0.681904  1
